trimethylplumbyl 2-chloroacetate

C5H11ClO2Pb — CID 16683416

IUPACtrimethylplumbyl 2-chloroacetate
SMILESC[Pb](C)(C)OC(=O)CCl
InChIInChI=1S/C2H3ClO2.3CH3.Pb/c3-1-2(4)5;;;;/h1H2,(H,4,5);3*1H3;/q;;;;+1/p-1
InChIKeyTUIXDMVCIZNCIB-UHFFFAOYSA-M
MW345.79 g/mol
LogP1.60
Rot. Bonds2

About trimethylplumbyl 2-chloroacetate

trimethylplumbyl 2-chloroacetate (PubChem CID 16683416) has the molecular formula C5H11ClO2Pb and a molecular weight of 345.79 g/mol. Its IUPAC name is trimethylplumbyl 2-chloroacetate.

Molecular Properties

Compound Nametrimethylplumbyl 2-chloroacetate
PubChem CID16683416
Molecular FormulaC5H11ClO2Pb
Molecular Weight345.79 g/mol
Exact Mass346.02
IUPAC Nametrimethylplumbyl 2-chloroacetate
SMILESC[Pb](C)(C)OC(=O)CCl
InChIInChI=1S/C2H3ClO2.3CH3.Pb/c3-1-2(4)5;;;;/h1H2,(H,4,5);3*1H3;/q;;;;+1/p-1
InChIKeyTUIXDMVCIZNCIB-UHFFFAOYSA-M
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2-chloroacetyl) 2-chloroacetate
CID 10946
ethyl 2-chloroacetate
CID 7751
acetyl acetate;(2-chloroacetyl) 2-chloroacetate
CID 88728166
chloro 2-chloroethaneperoxoate
CID 87091274
(propan-2-ylideneamino) 2-chloroacetate
CID 11744797
1,2-dichloropropan-2-yl 2-chloroacetate
CID 71346573
1-chloroethenyl 2-chloroacetate
CID 174342485
4-chlorobutan-2-yl 2-chloroacetate
CID 11521199
ethylcarbamoyl 2-chloroacetate
CID 91082001
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate
CID 159147604
2-chloroacetyl chloride;ethane
CID 144520290

Frequently Asked Questions

What is the IUPAC name of trimethylplumbyl 2-chloroacetate?
The IUPAC name of trimethylplumbyl 2-chloroacetate (CID 16683416) is trimethylplumbyl 2-chloroacetate.
What is the SMILES notation for trimethylplumbyl 2-chloroacetate?
The canonical SMILES for trimethylplumbyl 2-chloroacetate is C[Pb](C)(C)OC(=O)CCl.
What is the InChIKey of trimethylplumbyl 2-chloroacetate?
The InChIKey is TUIXDMVCIZNCIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3ClO2.3CH3.Pb/c3-1-2(4)5;;;;/h1H2,(H,4,5);3*1H3;/q;;;;+1/p-1.
What are the key properties of trimethylplumbyl 2-chloroacetate?
trimethylplumbyl 2-chloroacetate has a molecular weight of 345.79 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylplumbyl 2-chloroacetate is sourced from PubChem (CID 16683416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).